SCHEMBL2293693

SCHEMBL2293693

O=C(CCc1ccccc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 4/20 0.69
CACNA2D1 P54289 2/20 0.69
CACNA1B Q00975 2/20 0.69
CACNB1 Q02641 2/20 0.69
GFER P55789 1/20 0.67
CACNA1F O60840 2/20 0.59
DRD4 P21917 2/20 0.59
DRD5 P21918 2/20 0.59
HRH2 P25021 2/20 0.59
ADRA1D P25100 2/20 0.59
HTR2A P28223 2/20 0.59
HTR7 P34969 2/20 0.59
ADRA1A P35348 2/20 0.59
HRH1 P35367 2/20 0.59
ADRA1B P35368 2/20 0.59
OPRM1 P35372 2/20 0.59
DRD3 P35462 2/20 0.59
OPRD1 P41143 2/20 0.59
OPRK1 P41145 2/20 0.59
HTR6 P50406 2/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4904835 0.83 NAAA (0.68) CACNA1CCACNA2D1CACNA1BCACNB1NPC1
SCHEMBL16598967 0.82 CACNA2D1 (0.59) CACNA1CCACNA2D1CACNA1BCACNB1NPC1
SCHEMBL5264907 0.82 CACNA2D1 (1.00) CACNA1CCACNA2D1CACNA1BCACNB1CACNA1H
SCHEMBL3799766 0.80 GFER (1.00) GFERNPC1KMT2AMEN1
SCHEMBL7131839 0.80 NPC1 (0.86) GFERNPC1TDP1KMT2AMEN1
SCHEMBL4283073 0.80 CACNA2D1 (0.70) CACNA1CCACNA2D1CACNA1BCACNB1NPC1
SCHEMBL26331270 0.79 CACNA2D1 (0.60) CACNA1CCACNA2D1CACNA1BCACNB1HRH1
SCHEMBL2293689 0.79 CACNA1B (0.67) CACNA1CCACNA2D1CACNA1BCACNB1ADRA1D
SCHEMBL5326655 0.79 CACNA1C (0.54) CACNA1CCACNA2D1CACNA1BCACNB1CACNA1F
SCHEMBL4272237 0.78 CACNA2D1 (0.67) CACNA1CCACNA2D1CACNA1BCACNB1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901116-B2 Method for treating pain, anxiety or depression using carbamoyloxy alkanoyl piperazine compound SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-12-02 US disclosed
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-03-27 US disclosed
US-8541409-B2 Carbamoyloxy arylalkanoyl arylpiperazine analgesics SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-09-24 US disclosed
US-20110195963-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-08-11 US disclosed
US-20100160331-A1 NOVEL CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO. LTD. (KR) 2010-06-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100160331-A1 NOVEL CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND HTR5A, OPRD1, OPRL1 CACNA1C 234/4885CACNA2D1 78/4885CACNA1B 207/4885
US-20110195963-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND HTR5A, CNR2, CNR1 CACNA1C 144/4885CACNA2D1 72/4885CACNA1B 76/4885
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND HTR5A, OPRL1, HDAC3 CACNA1C 98/4885CACNA2D1 42/4885CACNA1B 67/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.